Information card for entry 2011693

Structure parameters

• Formula: C33 H48 O12 S2
• Calculated formula: C33 H48 O12 S2
• Title of publication: 10-Deacetyl baccatin III dimethyl sulfoxide disolvate
• Authors of publication: Harper, James K.; Dalley, N. Kent; Mulgrew, Anna E.; West, F. G.; Grant, David M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 64 - 65
• a: 9.3677 ± 0.001 Å
• b: 21.991 ± 0.004 Å
• c: 9.4564 ± 0.0011 Å
• α: 90°
• β: 115.827 ± 0.009°
• γ: 90°
• Cell volume: 1753.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.136
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes